E730-1741 Screening compound: ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

E730-1741 Screening compound: ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
E730-1741 Screening compound: ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1741
ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E730-1741

Molecular Formula

C27H35N3O6 (C27 H35 N3 O6)

Compound Name

ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

IUPAC name

ethyl 2-(2-{[(4-acetamidophenyl)carbamoyl]methyl}-67-diethoxy-1234-tetrahydroisoquinolin-1-yl)acetate

SMILES

CCOC(CC1N(CC(Nc(cc2)ccc2NC(C)=O)=O)CCc(cc2OCC)c1cc2OCC)=O

InChI

InChI=1S/C27H35N3O6/c1-5-34-24-14-19-12-13-30(17-26(32)29-21-10-8-20(9-11-21)28-18(4)31)23(16-27(33)36-7-3)22(19)15-25(24)35-6-2/h8-11,14-15,23H,5-7,12-13,16-17H2,1-4H3,(H,28,31)(H,29,32)/t23-/m0/s1

InChI Key

QVHLIWIWVHIBIO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14913312

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-3.03

Polar Surface Area

84.326

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with E730-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1741?
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What is the minimum amount of E730-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1741
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E730-1741 available by request